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Information card for entry 7060816
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Coordinates | 7060816.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | VP-003 |
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Formula | C7 H8 I N O |
Calculated formula | C7 H8 I N O |
Title of publication | Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E |
Authors of publication | Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 13302 - 13316 |
a | 8.8097 ± 0.0005 Å |
b | 12.6229 ± 0.0008 Å |
c | 14.4382 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1605.59 ± 0.17 Å3 |
Cell temperature | 108 ± 2 K |
Ambient diffraction temperature | 108 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0198 |
Weighted residual factors for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections included in the refinement | 0.0415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060816.html
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Users of the data should acknowledge the original authors of the
structural data.